3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile

C9H16N2O — CID 63090584

IUPAC3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile
SMILESCC(CC#N)N1CCC[C@@H]1CO
InChIInChI=1S/C9H16N2O/c1-8(4-5-10)11-6-2-3-9(11)7-12/h8-9,12H,2-4,6-7H2,1H3/t8?,9-/m1/s1
InChIKeyFCQMYIBXFPVLHO-YGPZHTELSA-N
MW168.24 g/mol
LogP0.75
Rot. Bonds3

About 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile

3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile (PubChem CID 63090584) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile.

Molecular Properties

Compound Name3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile
PubChem CID63090584
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile
SMILESCC(CC#N)N1CCC[C@@H]1CO
InChIInChI=1S/C9H16N2O/c1-8(4-5-10)11-6-2-3-9(11)7-12/h8-9,12H,2-4,6-7H2,1H3/t8?,9-/m1/s1
InChIKeyFCQMYIBXFPVLHO-YGPZHTELSA-N
XLogP0.75
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile
CID 66260989
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile
CID 62886111
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407767
[1-(1-methoxyethyl)pyrrolidin-2-yl]methanol
CID 89040674
3-(2-methylazetidin-1-yl)butanenitrile
CID 79687499
3-[4-(hydroxymethyl)piperidin-1-yl]butanenitrile
CID 60913650
[(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol
CID 169020554
4-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanehydrazide
CID 63583684
3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
CID 115312813
3-[2-(hydroxymethyl)azepan-1-yl]-3-phenylpropanenitrile
CID 116634770
methyl 1-(1-cyanopropan-2-yl)piperidine-2-carboxylate
CID 115536923
3-[3-(hydroxymethyl)azepan-1-yl]butanenitrile
CID 164645160

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile?
The IUPAC name of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile (CID 63090584) is 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile.
What is the SMILES notation for 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile?
The canonical SMILES for 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile is CC(CC#N)N1CCC[C@@H]1CO.
What is the InChIKey of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile?
The InChIKey is FCQMYIBXFPVLHO-YGPZHTELSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(4-5-10)11-6-2-3-9(11)7-12/h8-9,12H,2-4,6-7H2,1H3/t8?,9-/m1/s1.
What are the key properties of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile?
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile has a molecular weight of 168.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile is sourced from PubChem (CID 63090584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).